SCHEMBL13699327

SCHEMBL13699327

Cc1cc(OCCOCCOCCOCCO)cc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.40
ALOX15 P16050 2/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 3/20 0.39
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLCO1B3 Q9NPD5 1/20 0.38
SLCO1B1 Q9Y6L6 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.36
SCN9A Q15858 1/20 0.36
HTR1A P08908 1/20 0.36
SYK P43405 1/20 0.35
GPR84 Q9NQS5 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13699127 0.91 TP53 (0.44) ALOX15TP53ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL13699113 0.89 APP (0.41) APPALOX15LMNAMEN1USP2
SCHEMBL13699131 0.89 APP (0.41) APPALOX15LMNAMEN1USP2
SCHEMBL9308498 0.84 TP53 (0.49) APPALOX15TP53LMNAMEN1
SCHEMBL19904783 0.81 KDM4E (0.42) MEN1ALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL1898008 0.78 GPR84 (0.45) ALDH1A1CYP3A4SMN1; SMN2L3MBTL1SCN9A
SCHEMBL16961046 0.78 FAAH (0.42) ALOX15TP53L3MBTL1SCN9AGPR84
SCHEMBL5320737 0.76 APP (0.53) APPLMNAMEN1USP2ALDH1A1
SCHEMBL16729641 0.75 MAPT (0.50) ALOX15LMNAMEN1USP2ALDH1A1
SCHEMBL13180038 0.75 RXRA (0.48) LMNAMEN1ALDH1A1MAPK1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009113704-A2 FLUORINE-CONTAINING COMPOUND AND METHOD FOR DETECTING BIOMOLECULE USING THE SAME KYOTO UNIVERSITY (JP) 2009-09-17 WO disclosed